2-(methylamino)-5-nitro-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 2-(methylamino)-5-nitro-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 2-(methylamino)-5-nitro-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 2-(methylamino)-5-nitro-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 2-(methylamino)-5-nitro-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(methylamino)-5-nitro-benzamide Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C17H18N6O4/c1-18-14-4-3-12(23(26)27)8-13(14)17(25)21-11-2-5-15(20-9-11)22-7-6-19-16(24)10-22/h2-5,8-9,18H,6-7,10H2,1H3,(H,19,24)(H,21,25)